3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]propan-1-ol

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]propan-1-ol Openeye Name: 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]propan-1-ol CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]-1-propanol IUPAC Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]propan-1-ol Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]propan-1-ol Formula: C26H30N4OS2 MolecularWeight: 478.6726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCCO)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4OS2/c1-20-24(19-33-26-28-22-10-5-6-11-23(22)29-26)27-13-12-25(20)32-17-15-30(14-7-16-31)18-21-8-3-2-4-9-21/h2-6,8-13,31H,7,14-19H2,1H3,(H,28,29)